SCHEMBL3083000

SCHEMBL3083000

C[CH]c1c[nH]c2cc(C)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.49
PIM3 Q86V86 1/20 0.46
NR4A2 P43354 1/20 0.46
PTGS2 P35354 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2A6 P11509 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.41
APOBEC3A P31941 1/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.41
IDO1 P14902 1/20 0.41
KIF11 P52732 1/20 0.40
PCSK9 Q8NBP7 1/20 0.40
RXFP3 Q9NSD7 1/20 0.40
GAA P10253 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1049957 0.83 PIM3 (0.65) HTR2APIM3NR4A2PTGS2KDM4E
SCHEMBL29935657 0.83 PIM3 (0.65) HTR2APIM3NR4A2PTGS2KDM4E
SCHEMBL18795330 0.79 GPR84 (0.53) HTR2ANR4A2KDM4EMAPTALDH1A1
SCHEMBL3280689 0.79 HPGD (0.60) HTR2APIM3NR4A2PTGS2KDM4E
SCHEMBL3280687 0.79 HPGD (0.60) HTR2APIM3NR4A2PTGS2KDM4E
SCHEMBL7241391 0.79 HTR2A (0.44) HTR2APIM3NR4A2PTGS2KDM4E
SCHEMBL18926989 0.76 HTR2A (0.42) HTR2APIM3NR4A2KDM4EMAPT
SCHEMBL19178909 0.76 TDO2 (0.68) HTR2APIM3NR4A2KDM4EMAPT
SCHEMBL29555842 0.75 ATM (0.56) HTR2APIM3NR4A2KDM4EMEN1
SCHEMBL12352 0.75 ATM (0.56) HTR2APIM3NR4A2KDM4EMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US disclosed
US-20070244177-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070244177-A1 ENZYME INHIBITORS ACHE, BACE1, MAOA HTR2A 965/4885PIM3 3869/4885NR4A2 1747/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 HTR2A 833/4885PIM3 3964/4885NR4A2 2283/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.